SCHEMBL9420463

SCHEMBL9420463

O=C=Nc1ccc(C(=O)C(O)(COCCOCCO)C(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9420512 1.00 CYP3A4 (0.35) CYP3A4TSHR
SCHEMBL9420491 0.97 CYP3A4 (0.37) CYP3A4TSHR
SCHEMBL9420480 0.88 HSD17B10 (0.36)
SCHEMBL9420551 0.85 CYP4F2 (0.32)
SCHEMBL9420456 0.82 TRPA1 (0.37) CYP3A4
SCHEMBL9420541 0.80 CYP3A4 (0.32) CYP3A4TSHR
SCHEMBL9751351 0.79 CYP3A4 (0.40) CYP3A4TSHR
SCHEMBL9420508 0.79 APP (0.43) CYP3A4TSHR
SCHEMBL9420487 0.79 APP (0.43) CYP3A4TSHR
SCHEMBL9420450 0.79 CYP3A4 (0.42) CYP3A4TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328585-B1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC (US) 1994-09-07 EP disclosed
EP-0328585-A4 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES 1991-06-05 EP disclosed
EP-0328585-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC. (US) 1989-08-23 EP disclosed
US-4829099-A SURGERY, POLYISOCYANATES, POLYISOTHIOCYANATES BIORESEARCH, INC. (US) 1989-05-09 US disclosed
WO-1989000589-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH, INC. (US) 1989-01-26 WO disclosed